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PhD position: First-principles and machine learn ... (No replies)
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A Ph.D opening is available at the Institute of Research on Ceramics (IRCER), University of Limoges, CNRS UMR 7315 (France)
PhD context and project:
The current PhD proposal is a part of a collaborative project entitled "Rational design concepts of Engineered Ceramics with Integrated catalytically active metal sites For electrochemical Energy conversion (RECIFE)" funded by the French National Research Agency ANR and the German Research Foundation DFG.
Achieving a sufficient, permanent, emission-free and environmentally friendly energy system is a top priority for the global energy agenda. In these global efforts, material design and electrochemistry play a central role in offering alternative energy solutions. Renewable hydrogen, in particular, produced by electrolysis, is one of the most promising approaches for efficient decarbonization of the energy system. It also represents a safe and sustainable source of energy.
The RECIFE project aims to develop and construct a new class of water-splitting electrode materials based on non-noble transition metals (TM) and engineered ceramics by
combining material modelling, machine learning and advanced design and characterization concepts. Particular attention is paid to the design of TM-containing ceramic nanocomposites with accessible nano-scale, non-noble, active TM particles that are dispersed in a ceramic matrix. These nanocomposites must have a high catalytically active specific surface as well as an appropriate electrical conductivity and chemical resistance, as required for the oxygen evolution reactions (OER), to enable the development of next-generation OER electrolysis catalysts.
The Phd project falls within modelling work packages that are expected to provide insights into the structure of the ceramic materials at the atomic level, as well as microscopic insights into the OER mechanisms and the electrochemical processes taking place on the bare and hydrated nanocomposite electrodes.
The selected candidate will work closely with the team of Dr. Guido Ori and Prof. Mauro Boero (DFT/FPMD aspects) at the Institute of Physics and Chemistry of Materials of Strasbourg (IPCMS, CNRS, France) with possible stays at IPCMS. In addition, the candidate will have close contact with the experimental teams of Dr. Samuel Bernard (IRCER, CNRS, France) and Dr. Motz Günter (University of Bayreuth, Germany) who will be in charge of the experimental part of the project focusing on the development of protocols for the synthesis, optimization and design of optimal, transition metal-modified, ceramic nanocomposite electrodes.
Qualifications:
Qualified candidates are required to hold a Master degree in quantum chemistry, physics, material science or condensed matter theory with an excellent academic track record and proficiency in Python programming. Knowledge of other programming languages (Fortran, C and/or C++) is a plus.
A minimal background knowledge of machine learning, density functional theory and/or classical molecular dynamics techniques is highly advantageous.
How to apply:
The interested PhD candidate should send a single PDF file containing: curriculum vitae, publication list (if any), and the list of passed examinations and relative marks. In addition, the interested PhD candidate should also express his/her motivations in a cover letter (1 page maximum) and arrange confidential letters of recommendation to be sent to the contact points below. Only complete applications will be processed.
Assessment:
Acceptance of candidates is subordinated to a further selection from the Doctoral School of the University of Limoges. A mandatory oral presentation will be scheduled for the selected candidates who will be notified of acceptance.
Appointment:
The PhD project is expected to start on October 2022 and the position is intended for three years.
Application Deadline: May 31, 2022.
Further information available at: https://www.ircer.fr/
Contact Information Point:
Dr. Assil Bouzid
e-mail: [email protected]
Dr. Samuel Bernard
e-mail: [email protected]
Institute of research on ceramics (IRCER)
European Center of Ceramics
12 Rue Atlantis, 87068 Limoges (France)